N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine

C10H12ClN3S — CID 43534721

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3S/c1-7(9-3-4-10(11)15-9)13-8-5-12-14(2)6-8/h3-7,13H,1-2H3
InChIKeyLDRJSHLMIKNDFI-UHFFFAOYSA-N
MW241.75 g/mol
LogP3.31
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 43534721) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
PubChem CID43534721
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCC(Nc1cnn(C)c1)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClN3S/c1-7(9-3-4-10(11)15-9)13-8-5-12-14(2)6-8/h3-7,13H,1-2H3
InChIKeyLDRJSHLMIKNDFI-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine (CID 43534721) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine is CC(Nc1cnn(C)c1)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is LDRJSHLMIKNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-7(9-3-4-10(11)15-9)13-8-5-12-14(2)6-8/h3-7,13H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 241.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).